N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C20H24N4OS2 MolecularWeight: 400.56076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C20H24N4OS2/c1-4-20(2,3)13-6-7-14-15(11-21)18(27-16(14)10-13)24-17(25)12-26-19-22-8-5-9-23-19/h5,8-9,13H,4,6-7,10,12H2,1-3H3,(H,24,25)